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The title compound, C58H46OSi2·C6H14, was formed in small yield as a by-product during the synthesis of 1-methyl-2,3,4,5-tetra­phenyl­silole.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803024255/lh6131sup1.cif
Contains datablocks 1, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536803024255/lh61311sup2.hkl
Contains datablock 1

CCDC reference: 227030

Key indicators

  • Single-crystal X-ray study
  • T = 173 K
  • Mean [sigma](C-C) = 0.009 Å
  • Some non-H atoms missing
  • R factor = 0.134
  • wR factor = 0.363
  • Data-to-parameter ratio = 26.1

checkCIF/PLATON results

No syntax errors found



Alert level A CHEMW03_ALERT_2_A ALERT: The ratio of given/expected molecular weight as calculated from the _atom_site* data lies outside the range 0.90 <> 1.10 From the CIF: _cell_formula_units_Z 4 From the CIF: _chemical_formula_weight 901.30 TEST: Calculate formula weight from _atom_site_* atom mass num sum C 12.01 58.00 696.64 H 1.01 46.00 46.37 O 16.00 1.00 16.00 Si 28.09 2.00 56.17 Calculated formula weight 815.18 PLAT026_ALERT_3_A Ratio Observed / Unique Reflections too Low .... 29 Perc. PLAT043_ALERT_1_A Check Reported Molecular Weight ................ 901.30 PLAT044_ALERT_1_A Calculated and Reported Dx Differ .............. ?
Alert level B RFACR01_ALERT_3_B The value of the weighted R factor is > 0.35 Weighted R factor given 0.363 PLAT084_ALERT_2_B High R2 Value .................................. 0.36 PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 4.01 Ratio PLAT222_ALERT_3_B Large Non-Solvent H Ueq(max)/Ueq(min) ... 4.64 Ratio
Alert level C RFACG01_ALERT_3_C The value of the R factor is > 0.10 R factor given 0.134 RINTA01_ALERT_3_C The value of Rint is greater than 0.10 Rint given 0.125 PLAT020_ALERT_3_C The value of Rint is greater than 0.10 ......... 0.12 PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ? PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ? PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)... ? PLAT082_ALERT_2_C High R1 Value .................................. 0.13 PLAT230_ALERT_2_C Hirshfeld Test Diff for C21 - C22 = 5.73 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C33 - C34 = 5.66 su PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 9 PLAT420_ALERT_2_C D-H Without Acceptor Si1 - H1 ... ? PLAT420_ALERT_2_C D-H Without Acceptor Si2 - H2 ... ? PLAT602_ALERT_4_C VERY LARGE Solvent Accessible VOID(S) in Structure !
Alert level G FORMU01_ALERT_2_G There is a discrepancy between the atom counts in the _chemical_formula_sum and the formula from the _atom_site* data. Atom count from _chemical_formula_sum:C64 H60 O1 Si2 Atom count from the _atom_site data: C58 H46 O1 Si2 CELLZ01_ALERT_1_G Difference between formula and atom_site contents detected. CELLZ01_ALERT_1_G ALERT: Large difference may be due to a symmetry error - see SYMMG tests From the CIF: _cell_formula_units_Z 4 From the CIF: _chemical_formula_sum C64 H60 O Si2 TEST: Compare cell contents of formula and atom_site data atom Z*formula cif sites diff C 256.00 232.00 24.00 H 240.00 184.00 56.00 O 4.00 4.00 0.00 Si 8.00 8.00 0.00
4 ALERT level A = In general: serious problem 4 ALERT level B = Potentially serious problem 13 ALERT level C = Check and explain 3 ALERT level G = General alerts; check 7 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 9 ALERT type 2 Indicator that the structure model may be wrong or deficient 7 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Siemens 1995); cell refinement: SMART; data reduction: SAINT (Siemens 1995); program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: XP in SHELXTL-Plus (Sheldrick, 1991); software used to prepare material for publication: PLATON (Spek, 2003).

1,2-Dimethyl-1,2-bis(2,3,4-triphenyl-1-naphthyl)disiloxane hexane solvate top
Crystal data top
C58H46OSi2·C6H14F(000) = 1920
Mr = 901.30Dx = 1.172 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 3857 reflections
a = 18.716 (4) Åθ = 1–25°
b = 15.533 (3) ŵ = 0.11 mm1
c = 17.685 (4) ÅT = 173 K
β = 96.67 (2)°Plate, colourless
V = 5106.5 (19) Å30.30 × 0.30 × 0.08 mm
Z = 4
Data collection top
Siemens CCD three-circle
diffractometer
14554 independent reflections
Radiation source: fine-focus sealed tube4271 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.126
ω scansθmax = 30.7°, θmin = 1.1°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 2525
Tmin = 0.967, Tmax = 0.991k = 2121
77354 measured reflectionsl = 2424
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.134Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.363H-atom parameters constrained
S = 0.97 w = 1/[σ2(Fo2) + (0.146P)2]
where P = (Fo2 + 2Fc2)/3
14554 reflections(Δ/σ)max < 0.001
558 parametersΔρmax = 0.50 e Å3
2 restraintsΔρmin = 0.37 e Å3
Special details top

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Si10.25147 (11)0.66342 (11)0.74367 (10)0.0448 (5)
H10.316 (3)0.697 (4)0.791 (3)0.08 (2)*
C810.1801 (4)0.6665 (5)0.8066 (4)0.076 (3)
H81A0.17510.72530.82520.115*
H81B0.19260.62780.84980.115*
H81C0.13460.64800.77820.115*
O10.2303 (2)0.7310 (2)0.6731 (2)0.0438 (11)
Si20.27064 (10)0.75905 (12)0.59951 (10)0.0437 (5)
H20.345 (2)0.723 (3)0.615 (3)0.025 (13)*
C820.2729 (4)0.8782 (4)0.5909 (4)0.062 (2)
H82A0.29780.90280.63780.094*
H82B0.22360.90040.58290.094*
H82C0.29840.89410.54770.094*
C10.2624 (3)0.5507 (3)0.7061 (3)0.0275 (13)
C20.3220 (3)0.5010 (3)0.7333 (3)0.0240 (13)
C30.3321 (3)0.4181 (3)0.7023 (3)0.0269 (13)
C40.2838 (3)0.3844 (3)0.6453 (3)0.0269 (13)
C50.2218 (3)0.4314 (4)0.6176 (3)0.0292 (14)
C60.1684 (3)0.3971 (4)0.5611 (3)0.0395 (16)
H60.17510.34150.54080.047*
C70.1080 (3)0.4429 (4)0.5360 (4)0.0416 (16)
H70.07330.41930.49820.050*
C80.0972 (3)0.5252 (4)0.5662 (4)0.0465 (18)
H80.05520.55700.54870.056*
C90.1468 (3)0.5592 (4)0.6203 (4)0.0382 (16)
H90.13830.61460.64030.046*
C100.2108 (3)0.5145 (4)0.6478 (3)0.0308 (14)
C210.3748 (3)0.5320 (3)0.7965 (3)0.0250 (13)
C220.4446 (3)0.5533 (4)0.7849 (3)0.0408 (16)
H220.45820.55080.73490.049*
C230.4957 (4)0.5785 (4)0.8454 (4)0.0466 (17)
H230.54290.59430.83600.056*
C240.4767 (4)0.5801 (4)0.9188 (4)0.0456 (17)
H240.51120.59630.96010.055*
C250.4087 (4)0.5583 (4)0.9317 (3)0.0424 (16)
H250.39610.55920.98220.051*
C260.3580 (3)0.5352 (4)0.8724 (3)0.0345 (15)
H260.31070.52110.88270.041*
C310.3965 (3)0.3641 (3)0.7343 (3)0.0294 (14)
C320.3991 (4)0.3334 (4)0.8094 (3)0.0421 (16)
H320.36150.34760.83900.050*
C330.4544 (4)0.2841 (4)0.8401 (4)0.056 (2)
H330.45510.26310.89060.067*
C340.5105 (4)0.2639 (4)0.7979 (5)0.062 (2)
H340.54910.22880.81960.074*
C350.5102 (3)0.2952 (4)0.7235 (4)0.0510 (19)
H350.54900.28280.69500.061*
C360.4526 (3)0.3444 (4)0.6922 (4)0.0370 (15)
H360.45130.36480.64140.044*
C410.2955 (3)0.2965 (4)0.6117 (3)0.0288 (13)
C420.2790 (4)0.2227 (4)0.6497 (4)0.0525 (19)
H420.26160.22730.69790.063*
C430.2878 (5)0.1409 (5)0.6178 (4)0.075 (3)
H430.27410.09070.64330.090*
C440.3157 (5)0.1339 (5)0.5511 (5)0.071 (3)
H440.32410.07870.53080.085*
C450.3318 (4)0.2062 (5)0.5129 (4)0.066 (2)
H450.35030.20040.46530.079*
C460.3220 (3)0.2887 (4)0.5415 (4)0.0466 (17)
H460.33320.33840.51380.056*
C110.2230 (3)0.7057 (4)0.5106 (3)0.0340 (15)
C120.2605 (3)0.6521 (4)0.4678 (3)0.0339 (15)
C130.2252 (3)0.6051 (4)0.4044 (3)0.0311 (14)
C140.1532 (3)0.6149 (4)0.3825 (3)0.0343 (15)
C150.1130 (3)0.6753 (4)0.4238 (4)0.0422 (16)
C160.0387 (3)0.6940 (5)0.4026 (4)0.0529 (19)
H160.01440.66730.35860.063*
C170.0016 (4)0.7493 (5)0.4438 (5)0.061 (2)
H170.04760.76150.42770.073*
C180.0360 (4)0.7876 (5)0.5095 (5)0.066 (2)
H180.00980.82450.53910.079*
C190.1064 (4)0.7725 (4)0.5310 (4)0.0517 (18)
H190.12840.79900.57620.062*
C200.1493 (3)0.7185 (3)0.4889 (3)0.0315 (14)
C510.3409 (3)0.6399 (4)0.4878 (3)0.0343 (15)
C520.3880 (3)0.6982 (4)0.4638 (3)0.0362 (15)
H520.37040.74600.43370.043*
C530.4617 (3)0.6879 (4)0.4832 (3)0.0391 (16)
H530.49410.72880.46630.047*
C540.4879 (3)0.6192 (4)0.5265 (3)0.0362 (15)
H540.53830.61200.53930.043*
C550.4405 (4)0.5606 (4)0.5513 (4)0.0455 (17)
H550.45840.51370.58230.055*
C560.3679 (3)0.5692 (4)0.5317 (3)0.0376 (15)
H560.33580.52740.54770.045*
C610.2689 (3)0.5420 (4)0.3655 (3)0.0319 (14)
C620.3209 (3)0.5686 (4)0.3206 (3)0.0382 (15)
H620.32570.62840.31110.046*
C630.3661 (3)0.5114 (4)0.2892 (4)0.0467 (17)
H630.40190.53120.25950.056*
C640.3570 (4)0.4228 (5)0.3026 (4)0.0505 (19)
H640.38720.38180.28210.061*
C650.3038 (4)0.3954 (5)0.3460 (4)0.0535 (19)
H650.29730.33560.35400.064*
C660.2610 (4)0.4535 (4)0.3770 (4)0.0493 (18)
H660.22530.43360.40680.059*
C710.1149 (3)0.5670 (4)0.3163 (4)0.0462 (17)
C720.0621 (4)0.5094 (5)0.3264 (4)0.070 (2)
H720.04940.50040.37630.083*
C730.0267 (5)0.4640 (6)0.2674 (5)0.093 (3)
H730.01080.42540.27640.111*
C740.0456 (5)0.4745 (6)0.1942 (5)0.096 (3)
H740.02330.44120.15300.116*
C750.0971 (5)0.5343 (6)0.1834 (4)0.079 (3)
H750.10920.54420.13340.095*
C760.1319 (4)0.5804 (5)0.2431 (4)0.058 (2)
H760.16770.62140.23410.070*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Si10.0701 (14)0.0320 (10)0.0327 (11)0.0137 (9)0.0072 (10)0.0010 (8)
C810.103 (7)0.065 (5)0.070 (6)0.032 (5)0.047 (5)0.007 (4)
O10.062 (3)0.032 (2)0.038 (3)0.007 (2)0.010 (2)0.0020 (19)
Si20.0489 (12)0.0452 (12)0.0380 (11)0.0009 (9)0.0090 (9)0.0081 (9)
C820.094 (6)0.040 (4)0.056 (5)0.016 (4)0.019 (4)0.001 (4)
C10.046 (4)0.020 (3)0.017 (3)0.001 (3)0.010 (3)0.003 (2)
C20.032 (3)0.024 (3)0.020 (3)0.003 (3)0.017 (3)0.001 (2)
C30.027 (3)0.032 (3)0.023 (3)0.006 (3)0.007 (3)0.004 (3)
C40.032 (3)0.027 (3)0.024 (3)0.005 (3)0.012 (3)0.007 (3)
C50.032 (3)0.029 (3)0.027 (3)0.001 (3)0.005 (3)0.007 (3)
C60.035 (4)0.048 (4)0.037 (4)0.006 (3)0.008 (3)0.004 (3)
C70.034 (4)0.045 (4)0.044 (4)0.021 (3)0.000 (3)0.005 (3)
C80.023 (4)0.053 (5)0.063 (5)0.003 (3)0.004 (3)0.027 (4)
C90.043 (4)0.030 (3)0.046 (4)0.007 (3)0.025 (3)0.010 (3)
C100.033 (3)0.035 (4)0.026 (3)0.012 (3)0.006 (3)0.010 (3)
C210.027 (3)0.013 (3)0.034 (4)0.001 (2)0.003 (3)0.007 (2)
C220.059 (5)0.042 (4)0.021 (3)0.003 (3)0.005 (3)0.009 (3)
C230.047 (4)0.048 (4)0.048 (4)0.009 (3)0.018 (4)0.000 (3)
C240.048 (4)0.040 (4)0.043 (4)0.007 (3)0.019 (4)0.001 (3)
C250.056 (5)0.049 (4)0.022 (3)0.001 (3)0.002 (3)0.007 (3)
C260.036 (4)0.036 (4)0.034 (4)0.003 (3)0.016 (3)0.009 (3)
C310.027 (3)0.028 (3)0.032 (3)0.001 (3)0.003 (3)0.004 (3)
C320.053 (4)0.043 (4)0.030 (4)0.009 (3)0.004 (3)0.008 (3)
C330.077 (6)0.050 (5)0.041 (4)0.023 (4)0.005 (4)0.005 (3)
C340.066 (5)0.036 (4)0.075 (6)0.013 (4)0.025 (5)0.006 (4)
C350.023 (4)0.054 (5)0.075 (5)0.009 (3)0.002 (4)0.004 (4)
C360.027 (3)0.034 (4)0.050 (4)0.005 (3)0.006 (3)0.007 (3)
C410.022 (3)0.036 (4)0.025 (3)0.001 (3)0.009 (3)0.006 (3)
C420.084 (5)0.036 (4)0.033 (4)0.004 (4)0.010 (4)0.006 (3)
C430.138 (8)0.033 (4)0.048 (5)0.001 (5)0.011 (5)0.003 (4)
C440.113 (7)0.035 (4)0.058 (6)0.023 (5)0.025 (5)0.026 (4)
C450.071 (5)0.076 (6)0.054 (5)0.002 (5)0.020 (4)0.036 (5)
C460.055 (4)0.047 (4)0.040 (4)0.013 (3)0.013 (3)0.009 (3)
C110.046 (4)0.026 (3)0.033 (4)0.002 (3)0.016 (3)0.003 (3)
C120.046 (4)0.030 (3)0.028 (3)0.010 (3)0.013 (3)0.007 (3)
C130.030 (4)0.038 (4)0.025 (3)0.006 (3)0.001 (3)0.006 (3)
C140.040 (4)0.037 (4)0.029 (3)0.016 (3)0.016 (3)0.009 (3)
C150.044 (4)0.038 (4)0.044 (4)0.007 (3)0.005 (3)0.014 (3)
C160.035 (4)0.067 (5)0.056 (5)0.012 (4)0.003 (4)0.016 (4)
C170.023 (4)0.079 (6)0.085 (6)0.017 (4)0.026 (4)0.006 (5)
C180.054 (5)0.065 (5)0.079 (6)0.001 (4)0.012 (5)0.011 (5)
C190.043 (4)0.054 (5)0.058 (5)0.004 (4)0.009 (4)0.003 (4)
C200.032 (4)0.027 (3)0.037 (4)0.001 (3)0.011 (3)0.001 (3)
C510.042 (4)0.039 (4)0.022 (3)0.004 (3)0.006 (3)0.010 (3)
C520.050 (4)0.036 (4)0.024 (3)0.005 (3)0.008 (3)0.003 (3)
C530.046 (4)0.044 (4)0.028 (3)0.010 (3)0.002 (3)0.003 (3)
C540.027 (3)0.047 (4)0.034 (4)0.002 (3)0.003 (3)0.020 (3)
C550.047 (4)0.048 (4)0.041 (4)0.005 (3)0.000 (3)0.008 (3)
C560.046 (4)0.029 (3)0.039 (4)0.003 (3)0.009 (3)0.000 (3)
C610.029 (3)0.050 (4)0.018 (3)0.005 (3)0.007 (3)0.005 (3)
C620.033 (4)0.040 (4)0.041 (4)0.001 (3)0.004 (3)0.002 (3)
C630.049 (4)0.052 (5)0.041 (4)0.001 (4)0.015 (3)0.007 (3)
C640.059 (5)0.057 (5)0.034 (4)0.022 (4)0.004 (4)0.013 (3)
C650.080 (6)0.047 (4)0.033 (4)0.003 (4)0.006 (4)0.008 (3)
C660.068 (5)0.036 (4)0.046 (4)0.017 (4)0.014 (4)0.008 (3)
C710.044 (4)0.066 (5)0.030 (4)0.013 (4)0.013 (3)0.006 (3)
C720.056 (5)0.098 (6)0.057 (5)0.039 (5)0.014 (4)0.006 (5)
C730.087 (7)0.128 (8)0.061 (6)0.072 (6)0.002 (5)0.010 (6)
C740.102 (8)0.120 (8)0.063 (6)0.056 (6)0.012 (5)0.017 (6)
C750.096 (7)0.093 (7)0.046 (5)0.036 (6)0.000 (5)0.011 (5)
C760.057 (5)0.066 (5)0.050 (5)0.022 (4)0.005 (4)0.001 (4)
Geometric parameters (Å, º) top
Si1—O11.644 (4)C43—C441.349 (10)
Si1—C811.835 (7)C43—H430.9500
Si1—C11.893 (5)C44—C451.363 (10)
Si1—H11.48 (4)C44—H440.9500
C81—H81A0.9800C45—C461.398 (9)
C81—H81B0.9800C45—H450.9500
C81—H81C0.9800C46—H460.9500
O1—Si21.637 (4)C11—C121.372 (7)
Si2—C821.858 (7)C11—C201.403 (8)
Si2—C111.905 (6)C12—C131.432 (8)
Si2—H21.49 (4)C12—C511.517 (8)
C82—H82A0.9800C13—C141.368 (8)
C82—H82B0.9800C13—C611.495 (8)
C82—H82C0.9800C14—C151.450 (8)
C1—C21.394 (7)C14—C711.498 (8)
C1—C101.443 (8)C15—C161.427 (9)
C2—C31.421 (7)C15—C201.434 (8)
C2—C211.485 (7)C16—C171.367 (9)
C3—C41.376 (7)C16—H160.9500
C3—C311.522 (7)C17—C181.395 (10)
C4—C51.410 (7)C17—H170.9500
C4—C411.516 (8)C18—C191.348 (9)
C5—C101.421 (8)C18—H180.9500
C5—C61.432 (8)C19—C201.430 (8)
C6—C71.364 (8)C19—H190.9500
C6—H60.9500C51—C521.364 (8)
C7—C81.409 (9)C51—C561.405 (8)
C7—H70.9500C52—C531.391 (8)
C8—C91.360 (9)C52—H520.9500
C8—H80.9500C53—C541.372 (8)
C9—C101.421 (8)C53—H530.9500
C9—H90.9500C54—C551.377 (8)
C21—C221.386 (8)C54—H540.9500
C21—C261.415 (7)C55—C561.369 (8)
C22—C231.405 (8)C55—H550.9500
C22—H220.9500C56—H560.9500
C23—C241.386 (8)C61—C621.388 (7)
C23—H230.9500C61—C661.400 (8)
C24—C251.363 (8)C62—C631.387 (8)
C24—H240.9500C62—H620.9500
C25—C261.378 (8)C63—C641.411 (9)
C25—H250.9500C63—H630.9500
C26—H260.9500C64—C651.391 (9)
C31—C361.390 (8)C64—H640.9500
C31—C321.407 (8)C65—C661.364 (9)
C32—C331.350 (8)C65—H650.9500
C32—H320.9500C66—H660.9500
C33—C341.392 (9)C71—C721.359 (8)
C33—H330.9500C71—C761.386 (9)
C34—C351.402 (9)C72—C731.365 (10)
C34—H340.9500C72—H720.9500
C35—C361.384 (8)C73—C741.390 (10)
C35—H350.9500C73—H730.9500
C36—H360.9500C74—C751.369 (10)
C41—C421.381 (8)C74—H740.9500
C41—C461.395 (8)C75—C761.375 (10)
C42—C431.408 (9)C75—H750.9500
C42—H420.9500C76—H760.9500
O1—Si1—C81108.4 (3)C44—C43—C42119.8 (7)
O1—Si1—C1110.5 (2)C44—C43—H43120.1
C81—Si1—C1110.6 (3)C42—C43—H43120.1
O1—Si1—H1109 (2)C43—C44—C45119.9 (7)
C81—Si1—H1104 (2)C43—C44—H44120.0
C1—Si1—H1114 (2)C45—C44—H44120.0
Si1—C81—H81A109.5C44—C45—C46122.0 (7)
Si1—C81—H81B109.5C44—C45—H45119.0
H81A—C81—H81B109.5C46—C45—H45119.0
Si1—C81—H81C109.5C41—C46—C45118.5 (6)
H81A—C81—H81C109.5C41—C46—H46120.8
H81B—C81—H81C109.5C45—C46—H46120.8
Si2—O1—Si1132.9 (3)C12—C11—C20119.0 (5)
O1—Si2—C82110.3 (3)C12—C11—Si2120.0 (5)
O1—Si2—C11109.0 (2)C20—C11—Si2121.0 (4)
C82—Si2—C11112.3 (3)C11—C12—C13121.5 (6)
O1—Si2—H2105.2 (17)C11—C12—C51120.2 (5)
C82—Si2—H2111.1 (17)C13—C12—C51118.3 (5)
C11—Si2—H2108.7 (17)C14—C13—C12121.0 (5)
Si2—C82—H82A109.5C14—C13—C61121.1 (5)
Si2—C82—H82B109.5C12—C13—C61117.8 (5)
H82A—C82—H82B109.5C13—C14—C15118.7 (6)
Si2—C82—H82C109.5C13—C14—C71122.2 (6)
H82A—C82—H82C109.5C15—C14—C71119.1 (6)
H82B—C82—H82C109.5C16—C15—C20118.1 (6)
C2—C1—C10118.2 (5)C16—C15—C14123.1 (6)
C2—C1—Si1120.4 (4)C20—C15—C14118.8 (6)
C10—C1—Si1121.3 (4)C17—C16—C15122.0 (7)
C1—C2—C3120.4 (5)C17—C16—H16119.0
C1—C2—C21121.0 (5)C15—C16—H16119.0
C3—C2—C21118.5 (5)C16—C17—C18119.8 (7)
C4—C3—C2121.4 (5)C16—C17—H17120.1
C4—C3—C31119.2 (5)C18—C17—H17120.1
C2—C3—C31119.4 (5)C19—C18—C17120.2 (7)
C3—C4—C5120.1 (5)C19—C18—H18119.9
C3—C4—C41121.1 (5)C17—C18—H18119.9
C5—C4—C41118.8 (5)C18—C19—C20123.0 (7)
C4—C5—C10119.4 (5)C18—C19—H19118.5
C4—C5—C6122.0 (5)C20—C19—H19118.5
C10—C5—C6118.6 (5)C11—C20—C19122.4 (6)
C7—C6—C5121.2 (6)C11—C20—C15120.8 (5)
C7—C6—H6119.4C19—C20—C15116.8 (6)
C5—C6—H6119.4C52—C51—C56119.1 (6)
C6—C7—C8120.0 (6)C52—C51—C12120.3 (5)
C6—C7—H7120.0C56—C51—C12120.6 (5)
C8—C7—H7120.0C51—C52—C53120.3 (6)
C9—C8—C7120.2 (6)C51—C52—H52119.8
C9—C8—H8119.9C53—C52—H52119.8
C7—C8—H8119.9C54—C53—C52120.5 (6)
C8—C9—C10122.0 (6)C54—C53—H53119.7
C8—C9—H9119.0C52—C53—H53119.7
C10—C9—H9119.0C53—C54—C55119.3 (6)
C9—C10—C5118.0 (5)C53—C54—H54120.4
C9—C10—C1121.5 (5)C55—C54—H54120.4
C5—C10—C1120.4 (5)C56—C55—C54120.9 (6)
C22—C21—C26116.7 (5)C56—C55—H55119.6
C22—C21—C2121.5 (5)C54—C55—H55119.6
C26—C21—C2121.6 (5)C55—C56—C51119.9 (6)
C21—C22—C23121.6 (6)C55—C56—H56120.1
C21—C22—H22119.2C51—C56—H56120.1
C23—C22—H22119.2C62—C61—C66118.0 (5)
C24—C23—C22119.5 (6)C62—C61—C13121.6 (5)
C24—C23—H23120.3C66—C61—C13120.3 (5)
C22—C23—H23120.3C63—C62—C61122.6 (6)
C25—C24—C23119.9 (6)C63—C62—H62118.7
C25—C24—H24120.0C61—C62—H62118.7
C23—C24—H24120.0C62—C63—C64117.9 (6)
C24—C25—C26120.8 (6)C62—C63—H63121.1
C24—C25—H25119.6C64—C63—H63121.1
C26—C25—H25119.6C65—C64—C63119.9 (6)
C25—C26—C21121.4 (5)C65—C64—H64120.0
C25—C26—H26119.3C63—C64—H64120.0
C21—C26—H26119.3C66—C65—C64120.7 (7)
C36—C31—C32119.0 (5)C66—C65—H65119.6
C36—C31—C3122.4 (5)C64—C65—H65119.6
C32—C31—C3118.5 (5)C65—C66—C61120.9 (6)
C33—C32—C31120.9 (6)C65—C66—H66119.5
C33—C32—H32119.6C61—C66—H66119.5
C31—C32—H32119.6C72—C71—C76118.1 (7)
C32—C33—C34120.2 (6)C72—C71—C14120.9 (6)
C32—C33—H33119.9C76—C71—C14121.0 (6)
C34—C33—H33119.9C71—C72—C73122.4 (7)
C33—C34—C35120.3 (6)C71—C72—H72118.8
C33—C34—H34119.8C73—C72—H72118.8
C35—C34—H34119.8C72—C73—C74119.8 (7)
C36—C35—C34118.9 (6)C72—C73—H73120.1
C36—C35—H35120.5C74—C73—H73120.1
C34—C35—H35120.5C75—C74—C73118.0 (8)
C35—C36—C31120.7 (6)C75—C74—H74121.0
C35—C36—H36119.7C73—C74—H74121.0
C31—C36—H36119.7C74—C75—C76121.6 (8)
C42—C41—C46119.0 (6)C74—C75—H75119.2
C42—C41—C4120.4 (5)C76—C75—H75119.2
C46—C41—C4120.6 (5)C75—C76—C71119.9 (7)
C41—C42—C43120.8 (7)C75—C76—H76120.0
C41—C42—H42119.6C71—C76—H76120.0
C43—C42—H42119.6
C81—Si1—O1—Si2179.2 (4)C4—C41—C46—C45179.9 (6)
C1—Si1—O1—Si259.4 (4)C44—C45—C46—C410.6 (11)
Si1—O1—Si2—C82131.5 (4)O1—Si2—C11—C12121.4 (5)
Si1—O1—Si2—C11104.8 (4)C82—Si2—C11—C12116.1 (5)
O1—Si1—C1—C2132.9 (4)O1—Si2—C11—C2056.9 (5)
C81—Si1—C1—C2107.0 (5)C82—Si2—C11—C2065.6 (5)
O1—Si1—C1—C1045.6 (5)C20—C11—C12—C133.8 (8)
C81—Si1—C1—C1074.5 (5)Si2—C11—C12—C13174.6 (4)
C10—C1—C2—C31.9 (7)C20—C11—C12—C51177.3 (5)
Si1—C1—C2—C3176.7 (4)Si2—C11—C12—C514.3 (7)
C10—C1—C2—C21176.2 (5)C11—C12—C13—C142.7 (8)
Si1—C1—C2—C215.2 (7)C51—C12—C13—C14178.5 (5)
C1—C2—C3—C40.4 (8)C11—C12—C13—C61174.3 (5)
C21—C2—C3—C4177.8 (5)C51—C12—C13—C614.5 (8)
C1—C2—C3—C31178.4 (5)C12—C13—C14—C151.3 (8)
C21—C2—C3—C310.2 (7)C61—C13—C14—C15178.2 (5)
C2—C3—C4—C51.4 (8)C12—C13—C14—C71179.7 (5)
C31—C3—C4—C5176.6 (5)C61—C13—C14—C713.4 (8)
C2—C3—C4—C41179.1 (5)C13—C14—C15—C16176.1 (5)
C31—C3—C4—C412.8 (8)C71—C14—C15—C162.5 (8)
C3—C4—C5—C101.5 (8)C13—C14—C15—C203.9 (8)
C41—C4—C5—C10179.0 (5)C71—C14—C15—C20177.6 (5)
C3—C4—C5—C6176.9 (5)C20—C15—C16—C172.1 (9)
C41—C4—C5—C62.6 (8)C14—C15—C16—C17178.0 (6)
C4—C5—C6—C7178.7 (5)C15—C16—C17—C181.4 (11)
C10—C5—C6—C70.4 (8)C16—C17—C18—C192.2 (11)
C5—C6—C7—C80.5 (9)C17—C18—C19—C200.6 (11)
C6—C7—C8—C90.0 (9)C12—C11—C20—C19179.2 (5)
C7—C8—C9—C100.6 (9)Si2—C11—C20—C190.9 (8)
C8—C9—C10—C50.7 (8)C12—C11—C20—C151.1 (8)
C8—C9—C10—C1179.0 (5)Si2—C11—C20—C15177.3 (4)
C4—C5—C10—C9178.2 (5)C18—C19—C20—C11177.8 (6)
C6—C5—C10—C90.2 (8)C18—C19—C20—C154.0 (9)
C4—C5—C10—C10.1 (8)C16—C15—C20—C11177.2 (5)
C6—C5—C10—C1178.5 (5)C14—C15—C20—C112.7 (8)
C2—C1—C10—C9176.4 (5)C16—C15—C20—C194.6 (8)
Si1—C1—C10—C95.0 (7)C14—C15—C20—C19175.5 (5)
C2—C1—C10—C51.8 (8)C11—C12—C51—C5282.7 (7)
Si1—C1—C10—C5176.8 (4)C13—C12—C51—C5298.4 (6)
C1—C2—C21—C22112.3 (6)C11—C12—C51—C5696.7 (7)
C3—C2—C21—C2269.6 (7)C13—C12—C51—C5682.1 (7)
C1—C2—C21—C2672.5 (7)C56—C51—C52—C530.6 (8)
C3—C2—C21—C26105.7 (6)C12—C51—C52—C53178.9 (5)
C26—C21—C22—C231.2 (8)C51—C52—C53—C540.1 (9)
C2—C21—C22—C23176.7 (5)C52—C53—C54—C550.5 (8)
C21—C22—C23—C241.7 (9)C53—C54—C55—C561.5 (9)
C22—C23—C24—C250.8 (10)C54—C55—C56—C512.0 (9)
C23—C24—C25—C260.4 (10)C52—C51—C56—C551.5 (9)
C24—C25—C26—C210.9 (9)C12—C51—C56—C55177.9 (5)
C22—C21—C26—C250.0 (8)C14—C13—C61—C62111.5 (6)
C2—C21—C26—C25175.5 (5)C12—C13—C61—C6271.5 (7)
C4—C3—C31—C3668.9 (7)C14—C13—C61—C6672.0 (7)
C2—C3—C31—C36113.0 (6)C12—C13—C61—C66105.0 (6)
C4—C3—C31—C32111.2 (6)C66—C61—C62—C632.0 (9)
C2—C3—C31—C3266.9 (7)C13—C61—C62—C63174.6 (6)
C36—C31—C32—C331.2 (9)C61—C62—C63—C641.4 (9)
C3—C31—C32—C33178.9 (6)C62—C63—C64—C650.3 (9)
C31—C32—C33—C341.0 (10)C63—C64—C65—C661.3 (10)
C32—C33—C34—C350.5 (11)C64—C65—C66—C610.6 (10)
C33—C34—C35—C361.6 (10)C62—C61—C66—C651.0 (9)
C34—C35—C36—C311.4 (9)C13—C61—C66—C65175.6 (6)
C32—C31—C36—C350.0 (8)C13—C14—C71—C72116.5 (7)
C3—C31—C36—C35179.9 (5)C15—C14—C71—C7265.0 (9)
C3—C4—C41—C4279.3 (7)C13—C14—C71—C7663.9 (9)
C5—C4—C41—C42100.2 (6)C15—C14—C71—C76114.6 (7)
C3—C4—C41—C46101.7 (6)C76—C71—C72—C731.0 (13)
C5—C4—C41—C4678.8 (7)C14—C71—C72—C73179.3 (8)
C46—C41—C42—C430.9 (9)C71—C72—C73—C741.7 (15)
C4—C41—C42—C43178.2 (6)C72—C73—C74—C753.5 (15)
C41—C42—C43—C443.1 (11)C73—C74—C75—C762.8 (15)
C42—C43—C44—C453.4 (12)C74—C75—C76—C710.2 (13)
C43—C44—C45—C461.6 (12)C72—C71—C76—C751.7 (11)
C42—C41—C46—C450.9 (9)C14—C71—C76—C75178.6 (7)
 

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